18,19,21-Trihydroxypregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O5
IUPAC Name (8s,9s,10s,13r,14s,17s)-17-(2-hydroxyacetyl)-10,13-bis(hydroxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 362.460 g·mol−1
Heat of Formation -951.8 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 440.51 Å 3
Surface Area 342.99 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10s,13r,14s,17s)-10,13-bis(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10s,13r,14s,17s)-17-(2-hydroxyacetyl)-10,13-bis(hydroxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10s,13r,14s,17s)-17-(2-hydroxyethanoyl)-10,13-bis(hydroxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10s,13r,14s,17s)-17-glycoloyl-10,13-dimethylol-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 18,19-dh-doca
  • 18,19-dihydroxydeoxycorticosterone
  • 18,19-dihydroxydesoxycorticosterone
  • pregn-4-ene-3,20-dione, 18,19,21-trihydroxy-
CAS Number(s)
  • 84356-52-5
InChIKey YTJACEMMWCNUGZ-BXGJLEAFSA-N
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